Tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
Basic information
- CAS
697-56-3- Standard SMILES
O=C(O)C1C2CC3C(C2)C31- InChIKey
HUVFUOHAFNPPOE-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- Tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
- IUPAC
- tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
Names & synonyms
697-56-3tricyclo[2.2.1.02,6]heptane-3-carboxylic acidtricyclo[2.2.1.0,2,6]heptane-3-carboxylic acidTricyclo[2.2.1.02,6]heptane-3-carboxylicacid (6CI,7CI,8CI,9CI)NSC168026DTXSID80304795AAA69756AKOS006274397NSC-168026EN300-6733859tricyclo[2.2.1.0(2)]heptane-3-carboxylic acidTricyclo[2.2.1.0(2,6)]Heptane-3-carboxylic acid
Show more names
Tricyclo[2.2.1.0~2,6~]heptane-3-carboxylic acid
Database identifiers
- CAS
697-56-3- PubChem CID
- 296845
- DTXSID
DTXSID80304795- EC Number
- 138-803-4
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 199
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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